Phyto4Health

Liquirtigenin

Representations & DB's id
ChEBI: CHEBI:28777
ChEMBL: CHEMBL252642
PubChem: 114829
IUPAC: (2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
Standard InChI: InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2/t14-/m0/s1
Standard InChI Key: FURUXTVZLHCCNA-AWEZNQCLSA-N
SMILES: Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc(cc2)O

Molecular propeties
AlogP: 2.8
Hydrogen bonds acceptors: 4
Hydrogen bonds donors: 2
Rotatable bonds: 1
Number of rings: 3
Molecular Weight: 256.07
Topological polar surface area: 66.8
Number of aromatic rings: 2
Fsp3: 0.133
Number of carbons: 15

Plant sources

Part of plant Plant name Ref.
PlantGlycyrrhiza glabra
PlantGlycyrrhiza glabra
PlantGlycyrrhiza uralensis
PlantGlycyrrhiza uralensis

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
IC502100 nMCytochrome P450 19A1P11511
Others2.5 Cytochrome P450 19A1P11511
IC50340 nMCytochrome P450 19A1P11511
IC5060000 nMProtein-tyrosine phosphatase 1BP18031
IC5050000 nMProtein-tyrosine phosphatase 1BP18031
IC50100000 nMProtein-tyrosine phosphatase 1BP18031
Others20 %Proto-oncogene c-JUNP05412
Others39 %Nuclear factor NF-kappa-B p65 subunitQ04206
Others87 %Matrix metalloproteinase 9P14780
Others95 %Matrix metalloproteinase 9P14780
Others95 %Matrix metalloproteinase 9P14780
Others50 %Protein-tyrosine phosphatase 1BP18031